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Basic information
- CAS
639048-42-3- Standard SMILES
CCCn1nnnc1NC(=O)c1cccc(F)c1- InChIKey
RBKMTGHIZAQFRQ-UHFFFAOYSA-N- Molecular formula
- C11H12FN5O
- Average molar mass
- 249.24 g/mol
- Monoisotopic mass
- 249.10258822
Names & identifiers
- Preferred name
- 3-fluoro-N-(1-propyltetrazol-5-yl)benzamide
- IUPAC
- 3-fluoro-N-(1-propyltetrazol-5-yl)benzamide
- English name
- Benzamide, 3-fluoro-N-(1-propyl-1H-tetrazol-5-yl)- (9CI)
- Molecular formula
- C11H12FN5O
- Molecular weight
- 249.24
Names & synonyms
639048-42-33-fluoro-N-(1-propyltetrazol-5-yl)benzamide3-Fluoro-N-(1-propyl-1H-tetrazol-5-yl)benzamideSCHEMBL16034176DTXSID60359344RBKMTGHIZAQFRQ-UHFFFAOYSA-N(3-fluorophenyl)-N-(1-propyl(1,2,3,4-tetraazol-5-yl))carboxamideAKOS003199258DB-273683ST51028635BENZAMIDE, 3-FLUORO-N-(1-PROPYL-1H-TETRAZOL-5-YL)-Benzamide, 3-fluoro-N-(1-propyl-1H-tetrazol-5-yl)- (9CI)
Database identifiers
- CAS
639048-42-3- PubChem CID
- 960210
- DTXSID
DTXSID60359344
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 10.22 · 10.22±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
1 records
Compound notes
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